[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-(2-pyrrol-1-ylphenyl)methanone

Systemtic Name: [(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-(2-pyrrol-1-ylphenyl)methanone Openeye Name: [(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-(2-pyrrol-1-ylphenyl)methanone CAS Name: [(2S)-2-methyl-4-(2-quinazolinyl)-1,4-diazepan-1-yl]-[2-(1-pyrrolyl)phenyl]methanone IUPAC Name: [(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-(2-pyrrol-1-ylphenyl)methanone Traditional Name: [(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]-(2-pyrrol-1-ylphenyl)methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1C(=O)C2=CC=CC=C2N3C=CC=C3)C4=NC5=CC=CC=C5C=N4

Isomeric SMILES

C[C@H]1CN(CCCN1C(=O)C2=CC=CC=C2N3C=CC=C3)C4=NC5=CC=CC=C5C=N4

InChI

InChI=1S/C25H25N5O/c1-19-18-29(25-26-17-20-9-2-4-11-22(20)27-25)15-8-16-30(19)24(31)21-10-3-5-12-23(21)28-13-6-7-14-28/h2-7,9-14,17,19H,8,15-16,18H2,1H3/t19-/m0/s1