azepan-1-yl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone

Systemtic Name: azepan-1-yl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone Openeye Name: azepan-1-yl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone CAS Name: 1-azepanyl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone IUPAC Name: azepan-1-yl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone Traditional Name: azepan-1-yl-[2-(5,6,7,8-tetrahydroquinazolin-4-yl)phenyl]methanone Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=C4CCCCC4=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2C3=C4CCCCC4=NC=N3

InChI

InChI=1S/C21H25N3O/c25-21(24-13-7-1-2-8-14-24)17-10-4-3-9-16(17)20-18-11-5-6-12-19(18)22-15-23-20/h3-4,9-10,15H,1-2,5-8,11-14H2