2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 2-(1H-indol-3-ylmethylamino)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)NCC4=CNC5=CC=CC=C54)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)NCC4=CNC5=CC=CC=C54)C(=O)N2CC1

InChI

InChI=1S/C22H22N4O/c27-22-18-12-16(23-13-15-14-24-19-7-4-3-6-17(15)19)9-10-20(18)25-21-8-2-1-5-11-26(21)22/h3-4,6-7,9-10,12,14,23-24H,1-2,5,8,11,13H2