N-[4-(dimethylamino)-3-[[2-ethylbutanoyl-(phenylmethyl)amino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[4-(dimethylamino)-3-[[2-ethylbutanoyl-(phenylmethyl)amino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[3-[[benzyl(2-ethylbutanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide CAS Name: N-[4-(dimethylamino)-3-[[(2-ethyl-1-oxobutyl)-(phenylmethyl)amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[3-[[benzyl(2-ethylbutanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide Traditional Name: N-[3-[[benzyl(2-ethylbutanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N(CC1=CC=CC=C1)CC2=C(C=CC(=C2)NC(=O)C3CCC3)N(C)C

Isomeric SMILES

CCC(CC)C(=O)N(CC1=CC=CC=C1)CC2=C(C=CC(=C2)NC(=O)C3CCC3)N(C)C

InChI

InChI=1S/C27H37N3O2/c1-5-21(6-2)27(32)30(18-20-11-8-7-9-12-20)19-23-17-24(15-16-25(23)29(3)4)28-26(31)22-13-10-14-22/h7-9,11-12,15-17,21-22H,5-6,10,13-14,18-19H2,1-4H3,(H,28,31)