ethyl N-[1-[3-[[3,4-bis(fluoranyl)phenyl]carbamoyl-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]amino]propyl]pyrrolidin-3-yl]carbamate

Systemtic Name: ethyl N-[1-[3-[[3,4-bis(fluoranyl)phenyl]carbamoyl-[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]amino]propyl]pyrrolidin-3-yl]carbamate Openeye Name: ethyl N-[1-[3-[[(3R,6R)-6-(3-cyanophenyl)norcaran-3-yl]-[(3,4-difluorophenyl)carbamoyl]amino]propyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[3-[[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-[(3,4-difluoroanilino)-oxomethyl]amino]propyl]-3-pyrrolidinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[3-[[(3R,6R)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-[(3,4-difluorophenyl)carbamoyl]amino]propyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[3-[[(3R,6R)-6-(3-cyanophenyl)norcaran-3-yl]-[(3,4-difluorophenyl)carbamoyl]amino]propyl]pyrrolidin-3-yl]carbamic acid ethyl ester Formula: C31H37F2N5O3 MolecularWeight: 565.653986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCN(C1)CCCN(C2CCC3(CC3C2)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)F

Isomeric SMILES

CCOC(=O)NC1CCN(C1)CCCN([C@@H]2CC[C@]3(CC3C2)C4=CC=CC(=C4)C#N)C(=O)NC5=CC(=C(C=C5)F)F

InChI

InChI=1S/C31H37F2N5O3/c1-2-41-30(40)36-25-10-14-37(20-25)12-4-13-38(29(39)35-24-7-8-27(32)28(33)17-24)26-9-11-31(18-23(31)16-26)22-6-3-5-21(15-22)19-34/h3,5-8,15,17,23,25-26H,2,4,9-14,16,18,20H2,1H3,(H,35,39)(H,36,40)/t23?,25?,26-,31+/m1/s1