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

Systemtic Name: N-ethyl-4-[2-(phenylcarbamoylamino)-4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: N-ethyl-4-[4-(isopropylcarbamoyl)-2-(phenylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[2-[[anilino(oxo)methyl]amino]-4-[oxo-(propan-2-ylamino)methyl]phenyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: N-ethyl-4-[2-(phenylcarbamoylamino)-4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: N-ethyl-4-[4-(isopropylcarbamoyl)-2-(phenylcarbamoylamino)phenyl]-1,4-diazepane-1-carboxamide Formula: C25H34N6O3 MolecularWeight: 466.57586

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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)NC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H34N6O3/c1-4-26-25(34)31-14-8-13-30(15-16-31)22-12-11-19(23(32)27-18(2)3)17-21(22)29-24(33)28-20-9-6-5-7-10-20/h5-7,9-12,17-18H,4,8,13-16H2,1-3H3,(H,26,34)(H,27,32)(H2,28,29,33)