1-(3-azanyl-3-oxidanylidene-propyl)-2-benzamido-N-cyclohexyl-N-prop-2-enyl-benzimidazole-5-carboxamide

Systemtic Name: 1-(3-azanyl-3-oxidanylidene-propyl)-2-benzamido-N-cyclohexyl-N-prop-2-enyl-benzimidazole-5-carboxamide Openeye Name: N-allyl-1-(3-amino-3-oxo-propyl)-2-benzamido-N-cyclohexyl-benzimidazole-5-carboxamide CAS Name: 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-prop-2-enyl-5-benzimidazolecarboxamide IUPAC Name: 1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-prop-2-enylbenzimidazole-5-carboxamide Traditional Name: N-allyl-1-(3-amino-3-keto-propyl)-2-benzamido-N-cyclohexyl-benzimidazole-5-carboxamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C27H31N5O3/c1-2-16-31(21-11-7-4-8-12-21)26(35)20-13-14-23-22(18-20)29-27(32(23)17-15-24(28)33)30-25(34)19-9-5-3-6-10-19/h2-3,5-6,9-10,13-14,18,21H,1,4,7-8,11-12,15-17H2,(H2,28,33)(H,29,30,34)