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

Systemtic Name: methyl 4-[4-[(4-azanylcyclohexyl)carbamoyl]-2-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Openeye Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(benzyloxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(phenylmethoxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(benzyloxycarbonylamino)phenyl]-1,4-diazepane-1-carboxylic acid methyl ester Formula: C28H37N5O5 MolecularWeight: 523.62388

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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)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCC(CC3)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H37N5O5/c1-37-28(36)33-15-5-14-32(16-17-33)25-13-8-21(26(34)30-23-11-9-22(29)10-12-23)18-24(25)31-27(35)38-19-20-6-3-2-4-7-20/h2-4,6-8,13,18,22-23H,5,9-12,14-17,19,29H2,1H3,(H,30,34)(H,31,35)