2-[2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C23H30N6O2/c24-9-12-29-21(25-20-8-4-3-7-19(20)23(29)31)17-26-13-15-27(16-14-26)18-22(30)28-10-5-1-2-6-11-28/h3-4,7-8H,1-2,5-6,10-18H2