1-[phenyl-[4-[2-(1-piperidin-4-ylcarbonyl-5H-1,4-diazepin-4-yl)phenyl]butanoyl]amino]urea

Systemtic Name: 1-[phenyl-[4-[2-(1-piperidin-4-ylcarbonyl-5H-1,4-diazepin-4-yl)phenyl]butanoyl]amino]urea Openeye Name: [N-[4-[2-[1-(piperidine-4-carbonyl)-5H-1,4-diazepin-4-yl]phenyl]butanoyl]anilino]urea CAS Name: (N-[1-oxo-4-[2-[1-[oxo(4-piperidinyl)methyl]-5H-1,4-diazepin-4-yl]phenyl]butyl]anilino)urea IUPAC Name: [N-[4-[2-[1-(piperidine-4-carbonyl)-5H-1,4-diazepin-4-yl]phenyl]butanoyl]anilino]urea Traditional Name: [N-[4-[2-(1-isonipecotoyl-5H-1,4-diazepin-4-yl)phenyl]butanoyl]anilino]urea Formula: C28H34N6O3 MolecularWeight: 502.60796

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)N2C=CCN(C=C2)C3=CC=CC=C3CCCC(=O)N(C4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1CNCCC1C(=O)N2C=CCN(C=C2)C3=CC=CC=C3CCCC(=O)N(C4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C28H34N6O3/c29-28(37)31-34(24-10-2-1-3-11-24)26(35)13-6-9-22-8-4-5-12-25(22)32-18-7-19-33(21-20-32)27(36)23-14-16-30-17-15-23/h1-5,7-8,10-12,19-21,23,30H,6,9,13-18H2,(H3,29,31,37)