3-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one

Systemtic Name: 3-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one Openeye Name: 3-[4-oxo-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one CAS Name: 3-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]-4-quinazolinone IUPAC Name: 3-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one Traditional Name: 3-[4-keto-4-[4-(2-thenyl)-1,4-diazepan-1-yl]butyl]quinazolin-4-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCN2C=NC3=CC=CC=C3C2=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCN2C=NC3=CC=CC=C3C2=O)CC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c27-21(25-12-5-10-24(13-14-25)16-18-6-4-15-29-18)9-3-11-26-17-23-20-8-2-1-7-19(20)22(26)28/h1-2,4,6-8,15,17H,3,5,9-14,16H2