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

Systemtic Name: 3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]-4-quinazolinone IUPAC Name: 3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(2-thenyl)-1,4-diazepan-1-yl]propyl]quinazolin-4-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O)CC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c26-20(8-11-25-16-22-19-7-2-1-6-18(19)21(25)27)24-10-4-9-23(12-13-24)15-17-5-3-14-28-17/h1-3,5-7,14,16H,4,8-13,15H2