4-[2-[(3-chlorophenyl)carbonylamino]-4-(propan-2-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(3-chlorophenyl)carbonylamino]-4-(propan-2-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(isopropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[(3-chlorophenyl)-oxomethyl]amino]-4-[oxo-(propan-2-ylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(propan-2-ylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-[(3-chlorobenzoyl)amino]-4-(isopropylcarbamoyl)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide Formula: C25H32ClN5O3 MolecularWeight: 486.00628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C)C)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C)C)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H32ClN5O3/c1-4-27-25(34)31-12-6-11-30(13-14-31)22-10-9-19(23(32)28-17(2)3)16-21(22)29-24(33)18-7-5-8-20(26)15-18/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)