2-[[3-azanyl-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-naphthalen-2-yl-propanamide

Systemtic Name: 2-[[3-azanyl-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-naphthalen-2-yl-propanamide Openeye Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-(2-naphthyl)propanamide CAS Name: 2-[[[3-amino-4-(1,4-diazepan-1-yl)anilino]-oxomethyl]amino]-3-(2-naphthalenyl)propanamide IUPAC Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-naphthalen-2-ylpropanamide Traditional Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-(2-naphthyl)propionamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)N)N

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)NC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)N)N

InChI

InChI=1S/C25H30N6O2/c26-21-16-20(8-9-23(21)31-12-3-10-28-11-13-31)29-25(33)30-22(24(27)32)15-17-6-7-18-4-1-2-5-19(18)14-17/h1-2,4-9,14,16,22,28H,3,10-13,15,26H2,(H2,27,32)(H2,29,30,33)