2-azanyl-N-[4-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]ethanamide

Systemtic Name: 2-azanyl-N-[4-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]ethanamide Openeye Name: 2-amino-N-[4-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]acetamide CAS Name: 2-amino-N-[4-[5-cyclohexyl-2-oxo-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]phenyl]acetamide IUPAC Name: 2-amino-N-[4-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]acetamide Traditional Name: 2-amino-N-[4-(3-benzyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-1-yl)phenyl]acetamide Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)NC(=O)CN)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)C4=CC=C(C=C4)NC(=O)CN)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c30-19-27(35)31-23-15-17-24(18-16-23)34-26-14-8-7-13-25(26)28(22-11-5-2-6-12-22)32-33(29(34)36)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,22H,2,5-6,11-12,19-20,30H2,(H,31,35)