[2-(ethylamino)phenyl]-[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(ethylamino)phenyl]-[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]methanone Openeye Name: [2-(ethylamino)phenyl]-[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]methanone CAS Name: [2-(ethylamino)phenyl]-[(2S)-2-methyl-4-(2-quinazolinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [2-(ethylamino)phenyl]-[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]methanone Traditional Name: [2-(ethylamino)phenyl]-[(2S)-2-methyl-4-quinazolin-2-yl-1,4-diazepan-1-yl]methanone Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC=C1C(=O)N2CCCN(CC2C)C3=NC4=CC=CC=C4C=N3

Isomeric SMILES

CCNC1=CC=CC=C1C(=O)N2CCCN(C[C@@H]2C)C3=NC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H27N5O/c1-3-24-21-12-7-5-10-19(21)22(29)28-14-8-13-27(16-17(28)2)23-25-15-18-9-4-6-11-20(18)26-23/h4-7,9-12,15,17,24H,3,8,13-14,16H2,1-2H3/t17-/m0/s1