N-[3-(azepan-1-yl)propyl]-2,4-bis(oxidanylidene)-3-phenethyl-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2,4-bis(oxidanylidene)-3-phenethyl-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2,4-diketo-3-phenethyl-1H-quinazoline-7-carboxamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3/c31-24(27-14-8-17-29-15-6-1-2-7-16-29)21-11-12-22-23(19-21)28-26(33)30(25(22)32)18-13-20-9-4-3-5-10-20/h3-5,9-12,19H,1-2,6-8,13-18H2,(H,27,31)(H,28,33)