methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(2-phenylethanoylamino)phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(2-phenylethanoylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[(1-oxo-2-phenylethyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-[(2-phenylacetyl)amino]phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H37N5O4/c1-37-28(36)33-15-5-14-32(16-17-33)25-13-8-21(27(35)30-23-11-9-22(29)10-12-23)19-24(25)31-26(34)18-20-6-3-2-4-7-20/h2-4,6-8,13,19,22-23H,5,9-12,14-18,29H2,1H3,(H,30,35)(H,31,34)