1-[(3R)-2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea

Systemtic Name: 1-[(3R)-2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-[(3R)-2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(1-piperidyl)-1-piperidyl]phenyl]urea CAS Name: 1-[(3R)-2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]urea IUPAC Name: 1-[(3R)-2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-[(3R)-2-keto-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[4-(4-piperidinopiperidino)phenyl]urea Formula: C37H46N6O2 MolecularWeight: 606.80014

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)CCC6=CC=CC=C6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCCC5)CCC6=CC=CC=C6

InChI

InChI=1S/C37H46N6O2/c1-2-23-43-34-14-8-7-13-32(34)33(20-15-28-11-5-3-6-12-28)39-35(36(43)44)40-37(45)38-29-16-18-30(19-17-29)42-26-21-31(22-27-42)41-24-9-4-10-25-41/h3,5-8,11-14,16-19,31,35H,2,4,9-10,15,20-27H2,1H3,(H2,38,40,45)/t35-/m0/s1