[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Openeye Name: [4-(p-tolylmethyl)-1,4-diazepan-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[1-(2-pyrazinyl)-3-piperidinyl]methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(1-pyrazin-2-yl-3-piperidyl)methanone Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCN(C3)C4=NC=CN=C4

InChI

InChI=1S/C23H31N5O/c1-19-5-7-20(8-6-19)17-26-11-3-13-27(15-14-26)23(29)21-4-2-12-28(18-21)22-16-24-9-10-25-22/h5-10,16,21H,2-4,11-15,17-18H2,1H3