9-(azepan-1-yl)-3-chloranyl-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one

Systemtic Name: 9-(azepan-1-yl)-3-chloranyl-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one Openeye Name: 9-(azepan-1-yl)-3-chloro-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one CAS Name: 9-(1-azepanyl)-3-chloro-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one IUPAC Name: 9-(azepan-1-yl)-3-chloro-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one Traditional Name: 9-(azepan-1-yl)-3-chloro-6,11-dihydropyridazino[3,4-b][1,5]benzodiazepin-5-one Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC3=C(C=C2)NC(=O)C4=CC(=NN=C4N3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC3=C(C=C2)NC(=O)C4=CC(=NN=C4N3)Cl

InChI

InChI=1S/C17H18ClN5O/c18-15-10-12-16(22-21-15)19-14-9-11(5-6-13(14)20-17(12)24)23-7-3-1-2-4-8-23/h5-6,9-10H,1-4,7-8H2,(H,19,22)(H,20,24)